Cas no 5229-48-1 (2-(4-methylphenyl)-2-oxoethyl benzoate)
5229-48-1 structure
Product Name:2-(4-methylphenyl)-2-oxoethyl benzoate
CAS No:5229-48-1
MF:C16H14O3
MW:254.280564785004
CID:1580400
PubChem ID:789324
Update Time:2025-04-21
2-(4-methylphenyl)-2-oxoethyl benzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-methylphenyl)-2-oxoethyl benzoate
- [2-(4-methylphenyl)-2-oxoethyl] benzoate
- 5229-48-1
- SMSF0004959
- SR-01000199719
- BIM-0012093.P001
- DTXSID70355019
- SR-01000199719-1
- CBMicro_012000
- Oprea1_746594
- CB15499
-
- Inchi： 1S/C16H14O3/c1-12-7-9-13(10-8-12)15(17)11-19-16(18)14-5-3-2-4-6-14/h2-10H,11H2,1H3
- InChI Key： MOQJUCOQKPYFJZ-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CC(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- Density: 1.158
- Boiling Point: 427.7°C at 760 mmHg
- Flash Point: 191.1°C
- Refractive Index: 1.574
- PSA: 43.37
2-(4-methylphenyl)-2-oxoethyl benzoate Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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